이름: N-trityl-1-[4-(benzoxazol-2-yl)benzyloxy]-3-hydroxy-2-propanamine
SMILES:
OCC(COCc1ccc(-c2nc3ccccc3o2)cc1)NC(c1ccccc1)(c1ccccc1)c1ccccc1Molecular Processing
Molecular formula
C36H32N2O3
Molecular weight
540.66
Exact mass
540.2413
XLogP
6.95
TPSA
67.52
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
11
Heavy atoms
41
Rings
6
Aromatic rings
6
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.139
Molar refractivity
162.32
Supplementary Information
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